1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

C16H20N4O3S — CID 71273627

IUPAC1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyYOVWWVGGVAEQKY-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.07
Rot. Bonds5

About 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea

1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (PubChem CID 71273627) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
PubChem CID71273627
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
SMILESCC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1
InChIInChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21)
InChIKeyYOVWWVGGVAEQKY-UHFFFAOYSA-N
XLogP3.07
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

Daimuron
CID 39238
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-
CID 305607
4-({[2-(1-Methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide
CID 50909908
N-Octyl-N'-(4-((4-(((octylamino)carbonyl)amino)phenyl)methyl)phenyl)urea
CID 14299396
o-Ditolylurea
CID 69232
N-(4'-isopropyl-4-biphenylyl)urea
CID 11630239
1-(3-Propan-2-ylphenyl)-3-(4-sulfamoylphenyl)urea
CID 27871218
1-(3,5-Dimethylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273630
1-(2-Phenylphenyl)-3-[4-(sulfamoylamino)phenyl]urea
CID 71273635
1-(2-Methylphenyl)-3-(4-phenylbutyl)urea
CID 24819105
1-(2,6-Diisopropylphenyl)-3-phenylurea
CID 720732
Methyldymron
CID 92326

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The IUPAC name of 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea (CID 71273627) is 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is CC(C)c1ccccc1NC(=O)Nc1ccc(NS(N)(=O)=O)cc1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
The InChIKey is YOVWWVGGVAEQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-11(2)14-5-3-4-6-15(14)19-16(21)18-12-7-9-13(10-8-12)20-24(17,22)23/h3-11,20H,1-2H3,(H2,17,22,23)(H2,18,19,21).
What are the key properties of 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea?
1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea has a molecular weight of 348.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-3-[4-(sulfamoylamino)phenyl]urea is sourced from PubChem (CID 71273627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).